N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide

C21H14F3N3O2 — CID 122690134

IUPACN-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NO)c1ccc2nc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)[nH]c2c1
InChIInChI=1S/C21H14F3N3O2/c22-21(23,24)16-8-5-13(6-9-16)12-1-3-14(4-2-12)19-25-17-10-7-15(20(28)27-29)11-18(17)26-19/h1-11,29H,(H,25,26)(H,27,28)
InChIKeyWXYCYIMRUYUPEO-UHFFFAOYSA-N
MW397.36 g/mol
LogP5.03
Rot. Bonds3

About N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide

N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 122690134) has the molecular formula C21H14F3N3O2 and a molecular weight of 397.36 g/mol. Its IUPAC name is N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID122690134
Molecular FormulaC21H14F3N3O2
Molecular Weight397.36 g/mol
Exact Mass397.10
IUPAC NameN-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NO)c1ccc2nc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)[nH]c2c1
InChIInChI=1S/C21H14F3N3O2/c22-21(23,24)16-8-5-13(6-9-16)12-1-3-14(4-2-12)19-25-17-10-7-15(20(28)27-29)11-18(17)26-19/h1-11,29H,(H,25,26)(H,27,28)
InChIKeyWXYCYIMRUYUPEO-UHFFFAOYSA-N
XLogP5.03
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.36
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690183
2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 22097796
4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731138
2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690329
N-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731266
N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
CID 4915116
N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide
CID 122690256
N-hydroxy-2-(3-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690127
N-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690152
N-hydroxy-2-[3-(4-methylsulfonylphenyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690253
N-hydroxy-2-(2-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690172
2-(4-bromophenyl)-3H-benzimidazole-5-carbohydrazide
CID 91673674

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 122690134) is N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide is O=C(NO)c1ccc2nc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)[nH]c2c1.
What is the InChIKey of N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is WXYCYIMRUYUPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O2/c22-21(23,24)16-8-5-13(6-9-16)12-1-3-14(4-2-12)19-25-17-10-7-15(20(28)27-29)11-18(17)26-19/h1-11,29H,(H,25,26)(H,27,28).
What are the key properties of N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide?
N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 397.36 g/mol, XLogP of 5.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 122690134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).